#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mbh n ILE 91 N 0.00 -0.18 -0.71 1.47 2.08 -1.26 -4.86 119.36 115.90 1mbh n ILE 91 Ca 0.00 0.51 -0.29 0.00 0.56 0.00 0.00 62.75 63.53 1mbh n ILE 91 Cb 0.00 -0.93 0.21 0.00 -0.75 0.00 0.00 39.64 38.16 1mbh n ILE 91 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1mbh s LYS 92 N -3.32 0.06 0.88 0.38 2.20 -1.26 -4.95 119.74 113.73 1mbh s LYS 92 Ca 0.00 1.06 -0.14 0.00 -0.36 0.00 0.00 55.97 56.53 1mbh s LYS 92 Cb 0.00 -1.65 0.01 0.00 -1.51 0.00 0.00 37.83 34.68 1mbh s LYS 92 CO 0.00 -3.13 0.46 0.41 -0.36 0.00 0.00 175.35 172.74 1mbh n GLY 93 N 0.26 -1.82 3.21 5.54 0.00 -1.26 -4.75 105.19 106.37 1mbh n GLY 93 Ca 0.06 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1mbh n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 94 N -1.44 1.54 -1.37 1.61 -0.04 -1.26 -4.78 135.00 129.26 1mbh n PRO 94 Ca 0.08 -1.99 0.07 0.00 -0.04 0.00 0.00 63.50 61.62 1mbh n PRO 94 Cb 0.52 -3.09 -0.04 0.00 -0.04 0.00 0.00 33.50 30.85 1mbh n PRO 94 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1mbh n TRP 95 N 8.95 -3.71 -4.07 0.54 7.02 -1.26 -5.06 117.44 119.85 1mbh n TRP 95 Ca 0.49 2.03 -0.08 0.00 -1.02 0.00 0.00 57.50 58.91 1mbh n TRP 95 Cb 0.42 -3.26 -0.09 0.00 -2.42 0.00 0.00 31.31 25.96 1mbh n TRP 95 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1mbh s THR 96 N -4.78 0.17 0.31 -0.99 -4.23 -1.26 -5.04 115.64 99.81 1mbh s THR 96 Ca 0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1mbh s THR 96 Cb 0.00 -1.67 0.28 0.00 1.34 0.00 0.00 72.50 72.44 1mbh s THR 96 CO 0.00 -0.75 1.94 0.50 -0.54 0.00 0.00 174.62 175.76 1mbh h LYS 97 N 2.98 1.00 0.03 3.99 1.63 -1.98 0.09 116.57 124.30 1mbh h LYS 97 Ca -0.34 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.40 1mbh h LYS 97 Cb 1.17 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1mbh h LYS 97 CO 0.62 0.66 -0.01 1.49 -3.45 0.00 0.00 179.45 178.75 1mbh h GLU 98 N 1.03 -0.04 -0.15 1.90 4.22 -1.98 0.66 114.58 120.22 1mbh h GLU 98 Ca 0.35 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.81 1mbh h GLU 98 Cb 0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1mbh h GLU 98 CO -0.11 0.18 0.01 0.93 -2.18 0.00 0.00 179.01 177.84 1mbh h GLU 99 N -0.25 0.07 -0.43 1.92 5.08 -1.85 -0.80 114.58 118.31 1mbh h GLU 99 Ca -0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1mbh h GLU 99 Cb 0.24 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1mbh h GLU 99 CO 0.01 0.04 0.24 -0.44 -1.00 0.00 0.00 179.01 177.86 1mbh h ASP 100 N 0.07 0.38 -0.58 1.42 5.19 -0.92 -0.70 116.42 121.28 1mbh h ASP 100 Ca 0.07 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.53 1mbh h ASP 100 Cb 0.07 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1mbh h ASP 100 CO -0.10 0.27 0.32 -0.61 -3.12 0.00 0.00 179.24 176.00 1mbh h GLN 101 N 0.49 0.60 -0.19 3.56 5.75 -0.45 0.14 115.11 125.01 1mbh h GLN 101 Ca 0.18 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1mbh h GLN 101 Cb 0.04 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 1mbh h GLN 101 CO -0.10 0.40 0.11 -0.09 -2.65 0.00 0.00 178.83 176.50 1mbh h ARG 102 N 0.62 0.26 -0.58 1.69 2.43 -0.65 -2.46 114.38 115.70 1mbh h ARG 102 Ca 0.25 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1mbh h ARG 102 Cb 0.11 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1mbh h ARG 102 CO -0.14 0.24 0.31 0.28 -1.51 0.00 0.00 179.97 179.15 1mbh h VAL 103 N 0.21 1.19 -0.23 0.20 2.07 -0.66 -2.16 116.25 116.87 1mbh h VAL 103 Ca 0.07 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1mbh h VAL 103 Cb 0.05 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.22 1mbh h VAL 103 CO -0.01 0.21 -0.22 0.40 0.02 0.00 0.00 177.57 177.96 1mbh h ILE 104 N 0.78 0.43 0.23 4.57 2.04 -0.50 0.26 117.51 125.32 1mbh h ILE 104 Ca 0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.07 1mbh h ILE 104 Cb 0.05 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1mbh h ILE 104 CO -0.03 0.00 -0.28 -0.08 0.00 0.00 0.00 178.15 177.76 1mbh h GLU 105 N -0.23 -0.54 -0.71 2.37 4.57 -1.23 0.06 114.58 118.86 1mbh h GLU 105 Ca 0.13 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.41 1mbh h GLU 105 Cb 0.44 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 1mbh h GLU 105 CO -0.37 -0.36 0.47 -0.07 -1.18 0.00 0.00 179.01 177.50 1mbh h LEU 106 N -0.56 0.67 -0.37 1.64 3.38 -0.88 0.11 115.31 119.30 1mbh h LEU 106 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1mbh h LEU 106 Cb 0.54 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1mbh h LEU 106 CO -0.09 0.44 -0.70 0.58 0.09 0.00 0.00 178.44 178.75 1mbh h VAL 107 N 0.76 1.34 -0.03 1.22 2.07 -0.04 -0.19 116.25 121.38 1mbh h VAL 107 Ca 0.30 -2.03 -0.14 0.00 0.82 0.00 0.00 66.70 65.65 1mbh h VAL 107 Cb 0.22 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1mbh h VAL 107 CO -0.10 0.62 -0.64 -0.61 0.02 0.00 0.00 177.57 176.86 1mbh h GLN 108 N 0.37 0.12 0.24 1.57 4.15 -0.10 -0.63 115.11 120.82 1mbh h GLN 108 Ca -0.03 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1mbh h GLN 108 Cb 1.28 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.99 1mbh h GLN 108 CO 0.13 0.72 -0.12 0.87 -1.93 0.00 0.00 178.83 178.50 1mbh h LYS 109 N 0.08 -0.31 0.00 1.69 1.57 -0.68 -3.42 116.57 115.50 1mbh h LYS 109 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1mbh h LYS 109 Cb 1.15 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1mbh h LYS 109 CO 0.09 -0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 1mbh n TYR 110 N -4.99 0.00 0.00 -1.35 4.01 -0.10 -5.09 117.16 109.65 1mbh n TYR 110 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1mbh n TYR 110 Cb 0.19 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1mbh n TYR 110 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mbh n GLY 111 N 1.84 4.02 2.42 2.72 0.00 -0.24 -4.98 105.19 110.96 1mbh n GLY 111 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1mbh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mbh n PRO 112 N -1.50 2.64 0.00 1.61 -0.04 -1.25 -3.41 135.00 133.04 1mbh n PRO 112 Ca 0.00 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 1mbh n PRO 112 Cb 0.00 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1mbh n PRO 112 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1mbh n LYS 113 N 3.73 0.00 -1.37 0.54 4.76 -1.26 -4.93 118.16 119.64 1mbh n LYS 113 Ca 0.56 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.62 1mbh n LYS 113 Cb 0.25 -0.15 -0.02 0.00 -1.84 0.00 0.00 35.03 33.27 1mbh n LYS 113 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1mbh n ARG 114 N -2.18 3.22 0.26 1.97 1.74 -1.22 -4.62 116.66 115.83 1mbh n ARG 114 Ca 0.00 -2.23 0.14 0.00 -0.77 0.00 0.00 57.85 54.99 1mbh n ARG 114 Cb 0.00 -2.91 0.71 0.00 -1.02 0.00 0.00 32.46 29.24 1mbh n ARG 114 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1mbh h TRP 115 N 5.53 0.00 -0.17 -1.55 -0.00 -1.91 -1.49 115.95 116.36 1mbh h TRP 115 Ca 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 59.58 1mbh h TRP 115 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.54 1mbh h TRP 115 CO 1.75 0.11 -0.06 1.03 -0.00 0.00 0.00 178.44 181.27 1mbh h SER 116 N 0.00 0.34 -0.17 -3.49 0.87 -1.94 0.94 113.55 110.10 1mbh h SER 116 Ca -0.00 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1mbh h SER 116 Cb 0.43 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1mbh h SER 116 CO 0.01 0.65 0.07 0.58 -0.53 0.00 0.00 176.83 177.61 1mbh h VAL 117 N 0.03 1.16 -0.48 2.23 2.07 -1.81 -0.25 116.25 119.18 1mbh h VAL 117 Ca 0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1mbh h VAL 117 Cb 0.51 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1mbh h VAL 117 CO 0.02 0.15 0.30 0.40 0.02 0.00 0.00 177.57 178.46 1mbh h ILE 118 N 0.12 1.14 -0.78 4.57 2.04 -1.29 -2.56 117.51 120.76 1mbh h ILE 118 Ca 0.06 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1mbh h ILE 118 Cb 0.17 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1mbh h ILE 118 CO -0.00 0.14 0.40 0.00 0.00 0.00 0.00 178.15 178.68 1mbh h ALA 119 N 1.15 1.00 -0.13 1.87 0.00 -0.63 -0.07 119.26 122.46 1mbh h ALA 119 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1mbh h ALA 119 Cb -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1mbh h ALA 119 CO -0.03 0.54 0.11 0.87 0.00 0.00 0.00 179.25 180.74 1mbh h LYS 120 N 1.09 0.00 0.13 0.00 1.57 -0.64 -1.84 116.57 116.88 1mbh h LYS 120 Ca 0.27 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.79 1mbh h LYS 120 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1mbh h LYS 120 CO -0.04 0.00 -1.32 0.45 -0.57 0.00 0.00 179.45 177.97 1mbh h HIS 121 N 0.00 0.49 -0.12 -1.35 3.86 -1.07 -3.37 115.15 113.59 1mbh h HIS 121 Ca 0.06 -0.36 -0.71 0.00 -1.16 0.00 0.00 60.37 58.20 1mbh h HIS 121 Cb 0.27 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 1mbh h HIS 121 CO 0.00 1.51 3.15 1.28 0.86 0.00 0.00 177.93 184.73 1mbh n LEU 122 N -3.94 7.15 -4.52 2.43 7.99 -0.12 -4.93 117.00 121.06 1mbh n LEU 122 Ca -0.23 -4.22 -0.47 0.00 -0.01 0.00 0.00 56.01 51.08 1mbh n LEU 122 Cb 0.90 -1.63 -0.05 0.00 -0.11 0.00 0.00 43.42 42.53 1mbh n LEU 122 CO 0.44 1.29 1.81 0.29 -1.51 0.00 0.00 177.39 179.70 1mbh n LYS 123 N 5.49 1.52 0.00 3.23 5.02 -1.22 -1.25 118.16 130.95 1mbh n LYS 123 Ca 0.55 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 1mbh n LYS 123 Cb 0.36 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 1mbh n LYS 123 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mbh n GLY 124 N 6.10 2.70 4.00 0.72 0.00 -1.26 -5.12 105.19 112.33 1mbh n GLY 124 Ca 0.35 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1mbh n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mbh s ARG 125 N 0.00 2.42 0.35 1.61 1.81 -0.38 -4.91 118.95 119.86 1mbh s ARG 125 Ca 0.00 -1.21 0.05 0.00 -1.72 0.00 0.00 55.73 52.85 1mbh s ARG 125 Cb 0.00 -2.59 -0.02 0.00 -0.45 0.00 0.00 34.95 31.89 1mbh s ARG 125 CO 0.00 -0.74 0.18 0.44 -0.68 0.00 0.00 175.30 174.50 1mbh n ILE 126 N -2.24 0.00 -1.29 1.52 -0.00 -1.26 -4.82 119.36 111.26 1mbh n ILE 126 Ca 0.11 -2.21 -0.37 0.00 -0.00 0.00 0.00 62.75 60.29 1mbh n ILE 126 Cb 0.60 0.90 -0.02 0.00 -0.00 0.00 0.00 39.64 41.12 1mbh n ILE 126 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1mbh n GLY 127 N -0.57 3.81 1.59 3.28 0.00 -1.26 -3.30 105.19 108.74 1mbh n GLY 127 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1mbh n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mbh n LYS 128 N 4.96 0.00 -0.01 1.61 4.81 -1.26 -4.89 118.16 123.38 1mbh n LYS 128 Ca 0.60 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.95 1mbh n LYS 128 Cb 0.28 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.31 1mbh n LYS 128 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1mbh h GLN 129 N 0.00 -0.22 -0.99 1.64 1.08 -1.97 -0.02 115.11 114.63 1mbh h GLN 129 Ca 0.00 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.28 1mbh h GLN 129 Cb 0.00 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.41 1mbh h GLN 129 CO 0.00 -0.15 0.64 0.00 -0.95 0.00 0.00 178.83 178.37 1mbh h ARG 131 N 1.17 -1.16 -0.82 0.00 1.12 -1.57 -2.05 114.38 111.08 1mbh h ARG 131 Ca 0.43 0.08 0.12 0.00 -1.11 0.00 0.00 59.98 59.49 1mbh h ARG 131 Cb 0.16 0.26 -0.08 0.00 -0.01 0.00 0.00 29.97 30.30 1mbh h ARG 131 CO -0.17 -0.77 0.44 0.93 -3.11 0.00 0.00 179.97 177.28 1mbh h GLU 132 N -1.31 0.66 -0.85 0.20 3.07 -0.82 0.19 114.58 115.72 1mbh h GLU 132 Ca -0.12 -0.04 0.12 0.00 -0.50 0.00 0.00 59.36 58.82 1mbh h GLU 132 Cb 0.92 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.62 1mbh h GLU 132 CO 0.20 0.44 0.55 -0.09 -1.40 0.00 0.00 179.01 178.71 1mbh h ARG 133 N 0.68 0.69 -0.64 2.33 9.65 -0.84 0.70 114.38 126.95 1mbh h ARG 133 Ca 0.42 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.26 1mbh h ARG 133 Cb 0.50 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1mbh h ARG 133 CO -0.31 0.46 0.00 1.87 2.80 0.00 0.00 179.97 184.79 1mbh n TRP 134 N -4.53 1.65 -2.76 2.20 -0.00 0.51 -3.03 117.44 111.48 1mbh n TRP 134 Ca 0.15 -0.61 0.00 0.00 -0.00 0.00 0.00 57.50 57.05 1mbh n TRP 134 Cb 0.40 -0.35 0.05 0.00 -0.00 0.00 0.00 31.31 31.40 1mbh n TRP 134 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1mbh n HIS 135 N 0.81 0.79 0.00 5.87 8.25 0.21 -4.35 115.22 126.80 1mbh n HIS 135 Ca 0.25 -1.81 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 1mbh n HIS 135 Cb 0.98 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.01 1mbh n HIS 135 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1mbh n ASN 136 N -0.47 0.00 -0.06 0.41 3.02 -1.03 -4.91 115.26 112.22 1mbh n ASN 136 Ca 0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.53 1mbh n ASN 136 Cb 0.86 0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 40.16 1mbh n ASN 136 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mbh n HIS 137 N -2.50 0.00 -2.07 3.10 -0.00 -1.26 -5.00 115.22 107.51 1mbh n HIS 137 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 1mbh n HIS 137 Cb 0.00 -0.37 0.01 0.00 -0.00 0.00 0.00 29.99 29.64 1mbh n HIS 137 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1mbh s LEU 138 N -7.18 3.53 0.06 2.41 1.02 -1.17 -4.89 118.68 112.46 1mbh s LEU 138 Ca -0.21 1.87 0.00 0.00 0.02 0.00 0.00 54.13 55.81 1mbh s LEU 138 Cb 0.03 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.70 1mbh s LEU 138 CO 0.31 -1.19 0.00 -3.20 0.02 0.00 0.00 176.35 172.29 1mbh n ASN 139 N -1.94 -0.51 0.00 2.29 2.85 -1.26 -3.50 115.26 113.20 1mbh n ASN 139 Ca 0.09 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1mbh n ASN 139 Cb 0.53 0.70 0.00 0.00 1.24 0.00 0.00 39.78 42.25 1mbh n ASN 139 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1mbh n PRO 140 N -2.48 0.00 -0.35 1.20 -0.04 -1.26 -5.06 135.00 127.02 1mbh n PRO 140 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mbh n PRO 140 Cb 0.00 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 1mbh n PRO 140 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55